@MOLECULE (3s,3ar,4s,4ar,7ar,8r,9ar)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 2-methylbutanoate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0017 1.5377 -0.9515 O.3 1 UNL1111111111 -0.4299 2 O 1.3002 0.0830 -0.1299 O.3 1 UNL1111111111 -0.4944 3 O 1.9742 -1.9638 1.7324 O.2 1 UNL1111111111 -0.4445 4 O -3.6002 3.2761 0.2946 O.2 1 UNL1111111111 -0.4403 5 O 2.0318 1.8697 1.0096 O.2 1 UNL1111111111 -0.5070 6 C -0.1889 -1.4701 0.6917 C.3 1 UNL1111111111 -0.0751 7 C -0.8898 0.9862 -0.0393 C.3 1 UNL1111111111 -0.2167 8 C -0.6460 -2.0064 -0.6959 C.3 1 UNL1111111111 -0.1582 9 C 0.0914 0.0354 0.6535 C.3 1 UNL1111111111 0.1378 10 C -2.0446 0.4610 -0.9334 C.3 1 UNL1111111111 0.1321 11 C -2.1631 -2.0990 -0.8764 C.3 1 UNL1111111111 -0.0758 12 C -2.8308 -0.7687 -0.4872 C.3 1 UNL1111111111 -0.3330 13 C -1.5869 1.9966 0.9037 C.3 1 UNL1111111111 -0.1934 14 C 1.1360 -2.2528 0.9271 C.2 1 UNL1111111111 0.4825 15 C -1.0648 -1.8589 1.8778 C.3 1 UNL1111111111 -0.4524 16 C 0.1003 -3.3117 -0.8506 C.2 1 UNL1111111111 -0.0597 17 C -2.8259 2.3824 0.1156 C.2 1 UNL1111111111 0.5824 18 C -2.5068 -2.4571 -2.3275 C.3 1 UNL1111111111 -0.4573 19 C 1.1182 -3.4208 0.0153 C.2 1 UNL1111111111 -0.3172 20 C -2.0153 1.4788 2.2683 C.3 1 UNL1111111111 -0.4361 21 C 2.2478 1.0013 0.2079 C.2 1 UNL1111111111 0.6216 22 C 3.5062 0.7121 -0.5718 C.3 1 UNL1111111111 -0.1548 23 C 4.0624 2.0270 -1.1376 C.3 1 UNL1111111111 -0.2536 24 C 4.4878 0.0521 0.3971 C.3 1 UNL1111111111 -0.4505 25 C 3.1603 2.5859 -2.2359 C.3 1 UNL1111111111 -0.4422 26 H -0.2437 1.6043 -0.7347 H 1 UNL1111111111 0.1746 27 H -0.2374 -1.3144 -1.4860 H 1 UNL1111111111 0.1761 28 H 0.3273 0.4027 1.6855 H 1 UNL1111111111 0.1682 29 H -1.7309 0.3763 -1.9967 H 1 UNL1111111111 0.1431 30 H -2.5640 -2.9021 -0.2099 H 1 UNL1111111111 0.1409 31 H -3.8460 -0.7150 -0.9408 H 1 UNL1111111111 0.1691 32 H -3.0175 -0.7284 0.6023 H 1 UNL1111111111 0.1522 33 H -0.9300 2.8923 1.0468 H 1 UNL1111111111 0.1861 34 H -0.5459 -1.6724 2.8306 H 1 UNL1111111111 0.1653 35 H -2.0054 -1.2969 1.9110 H 1 UNL1111111111 0.1594 36 H -1.3227 -2.9256 1.8534 H 1 UNL1111111111 0.1566 37 H -0.1852 -4.0117 -1.6176 H 1 UNL1111111111 0.1531 38 H -3.5909 -2.5502 -2.4656 H 1 UNL1111111111 0.1519 39 H -2.1558 -1.6933 -3.0305 H 1 UNL1111111111 0.1499 40 H -2.0622 -3.4115 -2.6272 H 1 UNL1111111111 0.1427 41 H 1.8480 -4.2030 0.1063 H 1 UNL1111111111 0.1770 42 H -2.5617 2.2573 2.8242 H 1 UNL1111111111 0.1663 43 H -2.6788 0.6098 2.2001 H 1 UNL1111111111 0.1470 44 H -1.1516 1.1982 2.8860 H 1 UNL1111111111 0.1608 45 H 3.2834 0.0064 -1.4125 H 1 UNL1111111111 0.1682 46 H 4.1756 2.7715 -0.3222 H 1 UNL1111111111 0.1576 47 H 5.0823 1.8561 -1.5329 H 1 UNL1111111111 0.1436 48 H 4.0568 -0.8551 0.8505 H 1 UNL1111111111 0.1723 49 H 5.4116 -0.2443 -0.1111 H 1 UNL1111111111 0.1528 50 H 4.7602 0.7233 1.2224 H 1 UNL1111111111 0.1617 51 H 3.0373 1.8768 -3.0619 H 1 UNL1111111111 0.1433 52 H 3.5765 3.5091 -2.6563 H 1 UNL1111111111 0.1460 53 H 2.1617 2.8289 -1.8522 H 1 UNL1111111111 0.1499 @BOND 1 1 10 1 2 1 17 1 3 2 9 1 4 2 21 1 5 3 14 2 6 4 17 2 7 5 21 2 8 6 8 1 9 6 9 1 10 6 14 1 11 6 15 1 12 7 9 1 13 7 10 1 14 7 13 1 15 7 26 1 16 8 11 1 17 8 16 1 18 8 27 1 19 9 28 1 20 10 12 1 21 10 29 1 22 11 12 1 23 11 18 1 24 11 30 1 25 12 31 1 26 12 32 1 27 13 17 1 28 13 20 1 29 13 33 1 30 14 19 1 31 15 34 1 32 15 35 1 33 15 36 1 34 16 19 2 35 16 37 1 36 18 38 1 37 18 39 1 38 18 40 1 39 19 41 1 40 20 42 1 41 20 43 1 42 20 44 1 43 21 22 1 44 22 23 1 45 22 24 1 46 22 45 1 47 23 25 1 48 23 46 1 49 23 47 1 50 24 48 1 51 24 49 1 52 24 50 1 53 25 51 1 54 25 52 1 55 25 53 1